3-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxyquinazolin-4-one

C14H9ClN2O4 — CID 11666644

IUPAC3-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxyquinazolin-4-one
SMILESO=c1c2c(O)cc(O)cc2ncn1-c1ccc(O)cc1Cl
InChIInChI=1S/C14H9ClN2O4/c15-9-3-7(18)1-2-11(9)17-6-16-10-4-8(19)5-12(20)13(10)14(17)21/h1-6,18-20H
InChIKeyOVDOJZCEUBVOSV-UHFFFAOYSA-N
MW304.69 g/mol
LogP2.16
Rot. Bonds1

About 3-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxyquinazolin-4-one

3-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxyquinazolin-4-one (PubChem CID 11666644) has the molecular formula C14H9ClN2O4 and a molecular weight of 304.69 g/mol. Its IUPAC name is 3-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxyquinazolin-4-one.

Molecular Properties

Compound Name3-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxyquinazolin-4-one
PubChem CID11666644
Molecular FormulaC14H9ClN2O4
Molecular Weight304.69 g/mol
Exact Mass304.03
IUPAC Name3-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxyquinazolin-4-one
SMILESO=c1c2c(O)cc(O)cc2ncn1-c1ccc(O)cc1Cl
InChIInChI=1S/C14H9ClN2O4/c15-9-3-7(18)1-2-11(9)17-6-16-10-4-8(19)5-12(20)13(10)14(17)21/h1-6,18-20H
InChIKeyOVDOJZCEUBVOSV-UHFFFAOYSA-N
XLogP2.16
TPSA95.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.69
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxyquinazolin-4-one?
The IUPAC name of 3-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxyquinazolin-4-one (CID 11666644) is 3-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxyquinazolin-4-one.
What is the SMILES notation for 3-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxyquinazolin-4-one?
The canonical SMILES for 3-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxyquinazolin-4-one is O=c1c2c(O)cc(O)cc2ncn1-c1ccc(O)cc1Cl.
What is the InChIKey of 3-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxyquinazolin-4-one?
The InChIKey is OVDOJZCEUBVOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O4/c15-9-3-7(18)1-2-11(9)17-6-16-10-4-8(19)5-12(20)13(10)14(17)21/h1-6,18-20H.
What are the key properties of 3-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxyquinazolin-4-one?
3-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxyquinazolin-4-one has a molecular weight of 304.69 g/mol, XLogP of 2.16, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxyquinazolin-4-one is sourced from PubChem (CID 11666644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).